2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;6-chloro-N-[3-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide

C142H139Cl6F7N16O24 — CID 162199806

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;6-chloro-N-[3-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide
SMILESCC(F)(F)c1ccc(-c2cc(C34CC(CC(=O)[C@@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)no2)cn1.CC(F)(F)c1ccc(-c2cc(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)no2)cn1.CC(F)(F)c1ccc(-n2cc(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)cn2)cn1.CC1CC(c2nnc(C34CC(NC(=O)C5CC(=O)c6cc(Cl)ccc6O5)(C3)C4)o2)C1.CC1CC(c2nnc([C@@H]3CC[C@@H](NC(=O)C4CC(=O)c5cc(Cl)ccc5O4)CO3)o2)C1.CC1CC(c2nnc([C@@H]3CC[C@@H](NC(=O)COc4ccc(Cl)c(F)c4)CO3)o2)C1
InChIInChI=1S/C26H24ClF2N3O3.2C26H23ClF2N2O4.C22H24ClN3O5.C22H22ClN3O4.C20H23ClFN3O4/c1-24(28,29)23-5-3-17(10-30-23)32-11-15(9-31-32)26-12-25(13-26,14-26)8-20(34)22-7-19(33)18-6-16(27)2-4-21(18)35-22;2*1-24(28,29)22-5-2-14(10-30-22)20-8-23(31-35-20)26-11-25(12-26,13-26)9-18(33)21-7-17(32)16-6-15(27)3-4-19(16)34-21;1-11-6-12(7-11)21-25-26-22(31-21)18-5-3-14(10-29-18)24-20(28)19-9-16(27)15-8-13(23)2-4-17(15)30-19;1-11-4-12(5-11)19-25-26-20(30-19)21-8-22(9-21,10-21)24-18(28)17-7-15(27)14-6-13(23)2-3-16(14)29-17;1-11-6-12(7-11)19-24-25-20(29-19)17-5-2-13(9-28-17)23-18(26)10-27-14-3-4-15(21)16(22)8-14/h2-6,9-11,19,22,33H,7-8,12-14H2,1H3;2*2-6,8,10,17,21,32H,7,9,11-13H2,1H3;2,4,8,11-12,14,18-19H,3,5-7,9-10H2,1H3,(H,24,28);2-3,6,11-12,17H,4-5,7-10H2,1H3,(H,24,28);3-4,8,11-13,17H,2,5-7,9-10H2,1H3,(H,23,26)/t19-,22-,25?,26?;17-,21+,25?,26?;17-,21-,25?,26?;11?,12?,14-,18+,19?;;11?,12?,13-,17+/m1111.1/s1
InChIKeyZRKUYWUZALXBBC-LTFDBWFNSA-N
MW2799.47 g/mol
LogP27.79
Rot. Bonds32

About 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;6-chloro-N-[3-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide

2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;6-chloro-N-[3-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide (PubChem CID 162199806) has the molecular formula C142H139Cl6F7N16O24 and a molecular weight of 2799.47 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;6-chloro-N-[3-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;6-chloro-N-[3-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide
PubChem CID162199806
Molecular FormulaC142H139Cl6F7N16O24
Molecular Weight2799.47 g/mol
Exact Mass2794.82
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;6-chloro-N-[3-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide
SMILESCC(F)(F)c1ccc(-c2cc(C34CC(CC(=O)[C@@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)no2)cn1.CC(F)(F)c1ccc(-c2cc(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)no2)cn1.CC(F)(F)c1ccc(-n2cc(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)cn2)cn1.CC1CC(c2nnc(C34CC(NC(=O)C5CC(=O)c6cc(Cl)ccc6O5)(C3)C4)o2)C1.CC1CC(c2nnc([C@@H]3CC[C@@H](NC(=O)C4CC(=O)c5cc(Cl)ccc5O4)CO3)o2)C1.CC1CC(c2nnc([C@@H]3CC[C@@H](NC(=O)COc4ccc(Cl)c(F)c4)CO3)o2)C1
InChIInChI=1S/C26H24ClF2N3O3.2C26H23ClF2N2O4.C22H24ClN3O5.C22H22ClN3O4.C20H23ClFN3O4/c1-24(28,29)23-5-3-17(10-30-23)32-11-15(9-31-32)26-12-25(13-26,14-26)8-20(34)22-7-19(33)18-6-16(27)2-4-21(18)35-22;2*1-24(28,29)22-5-2-14(10-30-22)20-8-23(31-35-20)26-11-25(12-26,13-26)9-18(33)21-7-17(32)16-6-15(27)3-4-19(16)34-21;1-11-6-12(7-11)21-25-26-22(31-21)18-5-3-14(10-29-18)24-20(28)19-9-16(27)15-8-13(23)2-4-17(15)30-19;1-11-4-12(5-11)19-25-26-20(30-19)21-8-22(9-21,10-21)24-18(28)17-7-15(27)14-6-13(23)2-3-16(14)29-17;1-11-6-12(7-11)19-24-25-20(29-19)17-5-2-13(9-28-17)23-18(26)10-27-14-3-4-15(21)16(22)8-14/h2-6,9-11,19,22,33H,7-8,12-14H2,1H3;2*2-6,8,10,17,21,32H,7,9,11-13H2,1H3;2,4,8,11-12,14,18-19H,3,5-7,9-10H2,1H3,(H,24,28);2-3,6,11-12,17H,4-5,7-10H2,1H3,(H,24,28);3-4,8,11-13,17H,2,5-7,9-10H2,1H3,(H,23,26)/t19-,22-,25?,26?;17-,21+,25?,26?;17-,21-,25?,26?;11?,12?,14-,18+,19?;;11?,12?,13-,17+/m1111.1/s1
InChIKeyZRKUYWUZALXBBC-LTFDBWFNSA-N
XLogP27.79
TPSA532.49 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds32
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002799.47
LogP ≤ 527.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;6-chloro-N-[3-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide with MolForge

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Related Compounds

1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;3-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3-oxazolidin-2-one;(2R,4R)-4-hydroxy-6-methyl-N-[3-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide;4-[[2-(3-methylcyclobutyl)oxyacetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(3-methylcyclobutyl)oxyacetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexane-1-carboxamide
CID 157936582
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-methylphenyl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 158143206
1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-2-oxabicyclo[2.2.2]octan-1-yl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]ethanone;(2R,4R)-N-[3-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[(1R,2S,4R,5S)-5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 159765283
CID 160215067
CID 160215067
(2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-2,5-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone
CID 160501797
CID 161138034
CID 161138034
(2R,4R)-6-chloro-N-[3-[2-[1-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-(7-chloro-6-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;(2R,4R)-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[(5-methyl-2-pyridinyl)oxy]acetamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide;(2R)-6-methyl-4-oxo-N-[3-[2-oxo-2-[6-(trifluoromethoxy)-3-pyridinyl]ethyl]-1-bicyclo[1.1.1]pentanyl]-2,3-dihydrochromene-2-carboxamide
CID 164146333
(2R,4R)-6-chloro-N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;6-chloro-N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(3-fluoro-4-methylphenyl)-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(3-fluoro-4-methylphenyl)-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;6-chloro-N-[4-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.1.1]hexanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 157893752

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;6-chloro-N-[3-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;6-chloro-N-[3-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide (CID 162199806) is 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;6-chloro-N-[3-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;6-chloro-N-[3-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;6-chloro-N-[3-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide is CC(F)(F)c1ccc(-c2cc(C34CC(CC(=O)[C@@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)no2)cn1.CC(F)(F)c1ccc(-c2cc(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)no2)cn1.CC(F)(F)c1ccc(-n2cc(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)cn2)cn1.CC1CC(c2nnc(C34CC(NC(=O)C5CC(=O)c6cc(Cl)ccc6O5)(C3)C4)o2)C1.CC1CC(c2nnc([C@@H]3CC[C@@H](NC(=O)C4CC(=O)c5cc(Cl)ccc5O4)CO3)o2)C1.CC1CC(c2nnc([C@@H]3CC[C@@H](NC(=O)COc4ccc(Cl)c(F)c4)CO3)o2)C1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;6-chloro-N-[3-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
The InChIKey is ZRKUYWUZALXBBC-LTFDBWFNSA-N. The full InChI is InChI=1S/C26H24ClF2N3O3.2C26H23ClF2N2O4.C22H24ClN3O5.C22H22ClN3O4.C20H23ClFN3O4/c1-24(28,29)23-5-3-17(10-30-23)32-11-15(9-31-32)26-12-25(13-26,14-26)8-20(34)22-7-19(33)18-6-16(27)2-4-21(18)35-22;2*1-24(28,29)22-5-2-14(10-30-22)20-8-23(31-35-20)26-11-25(12-26,13-26)9-18(33)21-7-17(32)16-6-15(27)3-4-19(16)34-21;1-11-6-12(7-11)21-25-26-22(31-21)18-5-3-14(10-29-18)24-20(28)19-9-16(27)15-8-13(23)2-4-17(15)30-19;1-11-4-12(5-11)19-25-26-20(30-19)21-8-22(9-21,10-21)24-18(28)17-7-15(27)14-6-13(23)2-3-16(14)29-17;1-11-6-12(7-11)19-24-25-20(29-19)17-5-2-13(9-28-17)23-18(26)10-27-14-3-4-15(21)16(22)8-14/h2-6,9-11,19,22,33H,7-8,12-14H2,1H3;2*2-6,8,10,17,21,32H,7,9,11-13H2,1H3;2,4,8,11-12,14,18-19H,3,5-7,9-10H2,1H3,(H,24,28);2-3,6,11-12,17H,4-5,7-10H2,1H3,(H,24,28);3-4,8,11-13,17H,2,5-7,9-10H2,1H3,(H,23,26)/t19-,22-,25?,26?;17-,21+,25?,26?;17-,21-,25?,26?;11?,12?,14-,18+,19?;;11?,12?,13-,17+/m1111.1/s1.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;6-chloro-N-[3-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;6-chloro-N-[3-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide has a molecular weight of 2799.47 g/mol, XLogP of 27.79, 32 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;6-chloro-N-[3-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide is sourced from PubChem (CID 162199806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).